Glycoside
GD124466
Name:
4-(2H-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-oneFormula:
C26H24O12Smiles:
COc1c2c(c(-c3ccc4c(c3)OCO4)c3c(OC4OC(CO)C(O)C(O)C4O)c(O)ccc13)COC2=OAglycone:
COc1c2c(c(-c3ccc4c(c3)OCO4)c3c(O)c(O)ccc13)COC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.47 | Num_heavy_atoms: | 38 |
| TPSA: | 173.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD50279
Formula: C20H14O7
Smiles:
COc1c2c(c(-c3ccc4c(c3)OCO4)c3c(O)c(O)ccc13)COC2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.33 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 3 |
